SCHEMBL11053124

SCHEMBL11053124

O=C(Cl)c1cc2ccc(O)c(O)c2oc1=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 6/20 0.53
ADORA1 P30542 6/20 0.53
ADORA3 P0DMS8 3/20 0.53
ALDH1A1 P00352 2/20 0.51
LMNA P02545 2/20 0.51
HPGD P15428 2/20 0.51
GPR35 Q9HC97 2/20 0.51
KDM4E B2RXH2 1/20 0.51
PRKD3 O94806 1/20 0.51
EGFR P00533 1/20 0.51
PRKCG P05129 1/20 0.51
CYP1A2 P05177 1/20 0.51
PRKCB P05771 1/20 0.51
POLB P06746 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
MAPT P10636 1/20 0.51
THRB P10828 1/20 0.51
ALOX15 P16050 1/20 0.51
PRKCA P17252 1/20 0.51

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL982630 0.85 GPR35 (0.72) ADORA2AADORA1ADORA3ALDH1A1LMNA
SCHEMBL11344137 0.80 MAOA (0.73) ADORA2AADORA1ADORA3ALDH1A1LMNA
SCHEMBL30969168 0.79 MAOA (0.53) ADORA2AADORA1ADORA3ALDH1A1LMNA
SCHEMBL22132743 0.78 MAOA (0.56) ADORA2AADORA1ADORA3ALDH1A1LMNA
SCHEMBL22132756 0.78 MAOA (0.65) ADORA2AADORA1ADORA3ALDH1A1LMNA
SCHEMBL22129780 0.78 MAOA (0.72) ADORA2AADORA1ADORA3ALDH1A1LMNA
SCHEMBL30969182 0.78 ADORA2A (0.48) ADORA2AADORA1ADORA3ALDH1A1LMNA
SCHEMBL30969178 0.78 MAOA (0.65) ADORA2AADORA1ADORA3ALDH1A1LMNA
SCHEMBL2792438 0.78 HPGD (0.62) ADORA2AADORA1ADORA3ALDH1A1LMNA
SCHEMBL30969198 0.77 GPR35 (0.45) ADORA2AADORA1ADORA3ALDH1A1LMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4468394-A Cephalosporin compounds EISAI CO., LTD. (JP) 1984-08-28 US disclosed
US-4415567-A A 7B-CHROMONE-3-CARBOXAMIDO-2-/4-HYDROXY PHENYL/ACETAMIDO-2-CEPHEM DERIVATIVE EISAI CO., LTD. (JP) 1983-11-15 US disclosed
EP-0062328-A2 Novel penicillin and cephalosporin compounds, a process for preparing the same and antibacterial composition containing the novel compounds Eisai Co., Ltd. (JP) 1982-10-13 EP disclosed
US-4344944-A 7-α-methoxycephalosporin derivatives, and antibacterial drugs onctaining the same EISAI CO., LTD. (JP) 1982-08-17 US disclosed
US-4285940-A ANTIBIOTICS EISAI CO., LTD. (JP) 1981-08-25 US disclosed
US-4285941-A ANTIBIOTICS EISAI CO., LTD. (JP) 1981-08-25 US disclosed
US-4285939-A ANTIBIOTICS EISAI CO., LTD. (JP) 1981-08-25 US disclosed